1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole

C10H19N — CID 56621342

IUPAC1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC1CCCC2CCN(C)C12
InChIInChI=1S/C10H19N/c1-8-4-3-5-9-6-7-11(2)10(8)9/h8-10H,3-7H2,1-2H3
InChIKeyLSUGWRMIBDMUNA-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.13
Rot. Bonds

About 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole

1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 56621342) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID56621342
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC1CCCC2CCN(C)C12
InChIInChI=1S/C10H19N/c1-8-4-3-5-9-6-7-11(2)10(8)9/h8-10H,3-7H2,1-2H3
InChIKeyLSUGWRMIBDMUNA-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole (CID 56621342) is 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole is CC1CCCC2CCN(C)C12.
What is the InChIKey of 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is LSUGWRMIBDMUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-4-3-5-9-6-7-11(2)10(8)9/h8-10H,3-7H2,1-2H3.
What are the key properties of 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole?
1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 153.27 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 56621342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).